SCHEMBL10059504

SCHEMBL10059504

O=c1ccc(-c2nccs2)cn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.45
BLM P54132 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.41
CYP2A6 P11509 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
TNKS O95271 1/20 0.39
HDAC2 Q92769 2/20 0.39
MAT2A P31153 1/20 0.39
ADRB2 P07550 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10059565 0.88 PDPK1 (0.41) PDPK1LOXL2CYP2A6TNKSHDAC2
SCHEMBL10059599 0.79 NTRK1 (0.46) KDM4EALDH1A1ABL1
SCHEMBL10059546 0.78 GAA (0.41) ALDH1A1
SCHEMBL13076864 0.77 PORCN (0.38) PDPK1ALDH1A1LOXL2HDAC2ADRB2
SCHEMBL10059844 0.76 TNKS (0.57) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10059922 0.74 ALDH1A1 (0.49) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL687912 0.74 GRIA1 (0.51) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10059388 0.74 KDM4E (0.49) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10059954 0.73 KDM4E (0.53) KDM4EALDH1A1CYP1A2HPGDBLM
SCHEMBL10021078 0.73 ALDH1A1 (0.60) KDM4EALDH1A1CYP1A2HPGDBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
US-9290450-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2016-03-22 US disclosed
EP-2296653-B1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE INC (US) 2016-01-27 EP disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-8969347-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. 2015-03-03 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2013-04-25 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-8304413-B2 Compounds and methods for treating inflammatory and fibrotic disorders INTERMUNE, INC. (US) 2012-11-06 US disclosed
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS UNIVERSITY OF MINNESOTA (US) 2012-01-19 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
US-20110218515-A1 Methods for Treating Acute Myocardial Infarctions and Associated Disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-08 US disclosed
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-24 US disclosed
WO-2009149188-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS INTERMUNE, INC. (US) 2009-12-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 PDPK1 2461/4885KDM4E 2408/4885ALDH1A1 94/4885
US-20130102597-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 PDPK1 124/4885KDM4E 3381/4885ALDH1A1 2054/4885
US-20090318455-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS MAP3K8, MAP3K1, MAP3K6 PDPK1 124/4885KDM4E 3381/4885ALDH1A1 2054/4885
US-20120014917-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS MMP1, MMP8, CCL11 PDPK1 3432/4885KDM4E 1668/4885ALDH1A1 358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.